Molecule

ID:92587

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄N₂O₃
Molecular Mass
376.44826
Exact Mass
376.17869264
Charge
0
InChI
InChI=1S/C23H24N2O3/c1-2-7-22(26)24-12-14-25(15-13-24)23(27)28-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h2-6,8-11,21H,1,7,12-16H2
InChIKey
WRSRYPVHNSMIQR-UHFFFAOYSA-N
Canonic Smiles
C=CCC(=O)N1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
N1(CCN(CC1)C(=O)CC=C)C(=O)OCC1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
17.404562
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.137376
LogD (pH = 7.4)
3.137376
Log P
3.137376
Molar Refractivity
108.4886
Polarizability
42.945656
Polar Surface Area
49.85
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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